N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide

C22H21N3O — CID 11427880

IUPACN-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C22H21N3O/c26-21(18-13-7-8-14-18)25-22-23-19(16-9-3-1-4-10-16)15-20(24-22)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26)
InChIKeyNVVQQBAOOOCQIE-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.94
Rot. Bonds4

About N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide

N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide (PubChem CID 11427880) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide
PubChem CID11427880
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCC1
InChIInChI=1S/C22H21N3O/c26-21(18-13-7-8-14-18)25-22-23-19(16-9-3-1-4-10-16)15-20(24-22)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26)
InChIKeyNVVQQBAOOOCQIE-UHFFFAOYSA-N
XLogP4.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide (CID 11427880) is N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide is O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C1CCCC1.
What is the InChIKey of N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide?
The InChIKey is NVVQQBAOOOCQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c26-21(18-13-7-8-14-18)25-22-23-19(16-9-3-1-4-10-16)15-20(24-22)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2,(H,23,24,25,26).
What are the key properties of N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide?
N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diphenylpyrimidin-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 11427880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).